Information card for entry 2233332

Structure parameters

• Chemical name: Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetate
• Formula: C10 H13 N5 O2
• Calculated formula: C10 H13 N5 O2
• SMILES: O(CC)C(=O)Cc1n2nc(nc2nc(c1)C)N
• Title of publication: Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetate
• Authors of publication: Gueddar, Hicham; Bouhfid, Rachid; Guessous, Ahmed Radouane; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o239
• a: 22.9635 ± 0.0004 Å
• b: 7.7447 ± 0.0001 Å
• c: 14.7017 ± 0.0003 Å
• α: 90°
• β: 124.574 ± 0.001°
• γ: 90°
• Cell volume: 2152.87 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes